Glycoside
...
GD006868

Name:
None

Formula:
C34H60O10N7P

Smiles:
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@H](CC(C)C)C(=O)OCC(C)(C)C)N[C@H](CC(C)C)C(=O)OCC(C)(C)C)[C@H](O)[C@]1(C)O

Aglycone:
COP(=O)(NC(CC(C)C)C(=O)OCC(C)(C)C)NC(CC(C)C)C(=O)OCC(C)(C)C.COc1nc(N)nc2c1N=C[N]2

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 6 FractionCSP3: 0.79
AlogP: 3.74 Num_rotatable_bonds: 17
MolWt: 757.87 Num_heavy_atoms: 52
TPSA: 231.5 NumAromaticRings: 2

Unique Aglycone
AD01261
Formula: C6H6ON5

Smiles:
COc1nc(N)nc2c1N=C[N]2
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: -0.02 Num_rotatable_bonds: 1
MolWt: 164.15 Num_heavy_atoms: 12
TPSA: 87.49 NumAromaticRings: 1
AD05638
Formula: C23H47O6N2P

Smiles:
COP(=O)(NC(CC(C)C)C(=O)OCC(C)(C)C)NC(CC(C)C)C(=O)OCC(C)(C)C
HBA: 8 RingCount: 0
HBD: 2 FractionCSP3: 0.91
AlogP: 4.93 Num_rotatable_bonds: 13
MolWt: 478.61 Num_heavy_atoms: 32
TPSA: 102.96 NumAromaticRings: 0

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O